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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The Release of the Simplified Radionuclide Transport (SRT) Code (V.2.1)

Reactor licensing centers on the protection of the public and environment from the inadvertent release of radioactive material. Therefore, mechanistic source term analysis, or the realistic evaluation of radionuclide transport from the source to the environment for specific transient scenarios, is vital to reactor licensing efforts. Developed to resolve a gap in mechanistic source term modeling capabilities for sodium fast reactors (SFRs), the Simplified Radionuclide Transport (SRT) code created by Argonne National Laboratory (Argonne) is now utilized by advanced reactor vendors, universities, and research institutions to support a multitude of design, licensing, and research efforts. Recently, SRT version 2.1 was released, which includes improvements to code models and verification and validation (V&V) suite to support the SRT user community. The following work provides an overview of the improvements made as part of the release of SRT version 2.1. This effort is supported by the U.S. Department of Energy Office of Nuclear Energy (DOE:NE) Advanced Reactor Technologies (ART) Fast Reactor Program (FRP), as part of the program’s support of national laboratory design and safety analysis computer codes utilized by the fast reactor industry. The expansion of SRT code capabilities and improvements to code V&V associated with version 2.1 are in response to user requests and lessons learned from recent source term analyses performed by Argonne and advanced reactor vendors. They also align with the evolving role of SRT, from research and development tool to software utilized for reactor licensing calculations. The report is structured in alignment with the code improvements, as outlined in Figure 1-1. Section 2 provides background information on SRT, including its history, capabilities, and utilization. Section 3 details new code capabilities as part of version 2.1, while Section 4 focuses on the expansion of the code’s V&V suite. Lastly, Section 5 provides a summary and discussion of next steps.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1986

ANL/RBC: A computer code for the analysis of Rankine bottoming cycles, including system cost evaluation and off-design performance

This report describes, and is a User's Manual for, a computer code (ANL/RBC) which calculates cycle performance for Rankine bottoming cycles extracting heat from a specified source gas stream. The code calculates cycle power and efficiency and the sizes for the heat exchangers, using tabular input of the properties of the cycle working fluid. An option is provided to calculate the costs of system components from user defined input cost functions. These cost functions may be defined in equation form or by numerical tabular data. A variety of functional forms have been included for these functions and they may be combined to create very general cost functions. An optional calculation mode can be used to determine the off-design performance of a system when operated away from the design-point, using the heat exchanger areas calculated for the design-point.

Mclennan, G. A.↗
DOE OSTI2024

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗
DOE OSTI2025

Reimagining Disassembly Interfaces With Visualization: Combining Instruction Tracing and Control Flow With DisViz

In applications where efficiency is critical, developers may examine their compiled binaries, seeking to understand how the compiler transformed their source code and what performance implications that transformation may have. This analysis is challenging due to the vast number of disassembled binary instructions and the many-to-many mappings between them and the source code. These problems are exacerbated as source code size increases, giving the compiler more freedom to map and disperse binary instructions across the disassembly space. Interfaces for disassembly typically display instructions as an unstructured listing or sacrifice the order of execution. Here, we design a new visual interface for disassembly code that combines execution order with control flow structure, enabling analysts to both trace through code and identify familiar aspects of the computation. Central to our approach is a novel layout of instructions grouped into basic blocks that displays a looping structure in an intuitive way. We add to this disassembly representation a unique block-based mini-map that leverages our layout and shows context across thousands of disassembly instructions. Finally, we embed our disassembly visualization in a web-based tool, DisViz, which adds dynamic linking with source code across the entire application. DizViz was developed in collaboration with program analysis experts following design study methodology and was validated through evaluation sessions with ten participants from four institutions. Participants successfully completed the evaluation tasks, hypothesized about compiler optimizations, and noted the utility of our new disassembly view. Our evaluation suggests that our new integrated view helps application developers in understanding and navigating disassembly code.

Computer science↗
DOE OSTI2023

HydroChrono: An Open-Source Hydrodynamics Package for Project Chrono

In this paper we present the development and verification of HydroChrono, a hydrodynamics package for the Project Chrono physics engine. This package includes the implementation of hydrodynamics equations, the added mass for multibody systems, the development of I/O functions as well as a Python API, and comparison against standard reference cases and other existing tools. HydroChrono provides a flexible, fully open-source solution for simulating wave energy converters (WECs), floating offshore wind turbines (FOWTs) platforms, and other hydrodynamic systems. Here we show, via comparisons with existing tools for benchmark verification cases, that HydroChrono accurately models hydrodynamic forces - making it a useful tool for the design and optimization of these systems. Additionally, the integration of HydroChrono with Project Chrono offers access to finite element modeling capabilities and high-fidelity modelling - with Chrono's existing coupling to CFD and SPH codes. This provides numerical modelers with a multifidelity simulation framework for designing and validating these systems. The development of HydroChrono provides a new, open-source solution for simulating hydrodynamic systems. Its compatibility with other simulation tools enables a more streamlined and efficient design process, advancing the field and providing new opportunities for innovation in this area.

BEM↗
DOE OSTI2022

Calculation of Dangerous Values for Radionuclides Considered by the IAEA Code of Conduct

The D-value or dangerous quantity system was designed by the International Commission for Radiological Protection for the determination of source protection categories that can be used to reduce the likelihood of accidents, the consequences of which could result in harm to individuals or costly or expensive cleanup. The process includes multiple scenarios for exposure and two different approaches to the evaluation of detriment. This document provides an example calculation using 137 Cs to walk through the complex process of determining its D-value in the hopes of making the process easily understandable.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

GNET2: an R package for constructing gene regulatory networks from transcriptomic data

Abstract Motivation The Gene Network Estimation Tool (GNET) is designed to build gene regulatory networks (GRNs) from transcriptomic gene expression data with a probabilistic graphical model. The data preprocessing, model construction and visualization modules of the original GNET software were developed on different programming platforms, which were inconvenient for users to deploy and use. Results Here, we present GNET2, an improved implementation of GNET as an integrated R package. GNET2 provides more flexibility for parameter initialization and regulatory module construction based on the core iterative modeling process of the original algorithm. The data exchange interface of GNET2 is handled within an R session automatically. Given the growing demand for regulatory network reconstruction from transcriptomic data, GNET2 offers a convenient option for GRN inference on large datasets. Availability and implementation The source code of GNET2 is available at https://github.com/jianlin-cheng/GNET2. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1995

Aerothermodynamic testing requirements for future space transportation systems

Aerothermodynamics, encompassing aerodynamics, aeroheating, and fluid dynamic and physical processes, is the genesis for the design and development of advanced space transportation vehicles. It provides crucial information to other disciplines involved in the development process such as structures, materials, propulsion, and avionics. Sources of aerothermodynamic information include ground-based facilities, computational fluid dynamic (CFD) and engineering computer codes, and flight experiments. Utilization of this triad is required to provide the optimum requirements while reducing undue design conservatism, risk, and cost. This paper discusses the role of ground-based facilities in the design of future space transportation system concepts. Testing methodology is addressed, including the iterative approach often required for the assessment and optimization of configurations from an aerothermodynamic perspective. The influence of vehicle shape and the transition from parametric studies for optimization to benchmark studies for final design and establishment of the flight data book is discussed. Future aerothermodynamic testing requirements including the need for new facilities are also presented.

Paulson, John W., Jr.↗
NASA NTRS2010

Orbit Determination Toolbox

The Orbit Determination Toolbox is an orbit determination (OD) analysis tool based on MATLAB and Java that provides a flexible way to do early mission analysis. The toolbox is primarily intended for advanced mission analysis such as might be performed in concept exploration, proposal, early design phase, or rapid design center environments. The emphasis is on flexibility, but it has enough fidelity to produce credible results. Insight into all flight dynamics source code is provided. MATLAB is the primary user interface and is used for piecing together measurement and dynamic models. The Java Astrodynamics Toolbox is used as an engine for things that might be slow or inefficient in MATLAB, such as high-fidelity trajectory propagation, lunar and planetary ephemeris look-ups, precession, nutation, polar motion calculations, ephemeris file parsing, and the like. The primary analysis functions are sequential filter/smoother and batch least-squares commands that incorporate Monte-Carlo data simulation, linear covariance analysis, measurement processing, and plotting capabilities at the generic level. These functions have a user interface that is based on that of the MATLAB ODE suite. To perform a specific analysis, users write MATLAB functions that implement truth and design system models. The user provides his or her models as inputs to the filter commands. The software provides a capability to publish and subscribe to a software bus that is compliant with the NASA Goddard Mission Services Evolution Center (GMSEC) standards, to exchange data with other flight dynamics tools to simplify the flight dynamics design cycle. Using the publish and subscribe approach allows for analysts in a rapid design center environment to seamlessly incorporate changes in spacecraft and mission design into navigation analysis and vice versa.

Carpenter, James R.↗
DOE OSTI2023

Advanced Modeling and Simulation Methods for Evaluation of Thermal Neutron Scattering Materials

With the rise of interest in thermal neutron scattering data for advanced reactor, criticality safety, and shielding applications, new experimental data are required for evaluation of new materials or for re-evaluation (or validations) of previously evaluated materials. New experimental data are evaluated in a three-step process: (1) computing the phonon characteristics, (2) computing the dynamic structure factor (DSF) from the data, and (3) using the experimental setup to simulate the experimental data. All three steps have challenges, ranging from the need for a sufficiently general material simulation code—a processing code that can compute the corresponding DSF—to having a detailed layout of the instrument/beamline/facility where the data were measured. Whereas phonon characteristics of materials can be computed using various methods (molecular dynamics, density functional theory, etc.), a high-fidelity computation of the DSF and the simulation of the experiment based on the DSF is vital to the accuracy of the evaluation. The latter two steps can be achieved by using the two corresponding code systems developed by instrument scientists at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory: (1) OCLIMAX, a program that calculates the dynamic structure factor from DFT and MD simulation results, and (2) MCViNE, a Monte Carlo neutron ray-tracing program designed to simulate neutron scattering experiments. Recently, polyethylene and yttrium hydride were measured at the Wide Angular-Range Chopper (ARCS) and SEQUOIA instrument stations of the SNS. These experiments are simulated using the density functional theory code, the Cambridge Serial Total Energy Package (CASTEP), to compute its phonon characteristics (eigenvalues/vectors and PDOS), which is then processed using OCLIMAX to yield the DSF, and finally the data at each instrument station are simulated by the MCViNE for comparison to the measured data for evaluation. For comparison to conventional evaluation methods, the scattering data processed from OCLIMAX are compared against those processed from the LEAPR module of NJOY, and the results from MCViNE simulations are compared against previously used simplified beamline models implemented in the Monte Carlo N-Particle (MCNP) code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

ORBUMP Pulsed Dipole Magnet Design for Fermilab Booster

Fermilab initiated the accelerator magnet system upgrade project PIP-II for future neutrino experiments. Old ORBUMP pulsed dipoles should be replaced with new stronger magnets occupying the same space as old ones. Four of these magnets connected in series form dogleg type of proton beam orbit. The magnet field and 19 kA current pulse length are close to 1 ms. Old magnet cores were based on a ferrite material. For new magnets, a magnet gap field is above 0.4 T, which completely saturates ferrite material. So, for the magnet core, 0.127 mm thick laminations of low carbon steel with inorganic coating, as the magnet were placed in a vacuum box. There were investigated transient magnet parameters including skin effect in the iron core and in the single-turn copper coil. The integrated field homogeneity was improved by the copper coil shimming. Simulated by OPERA3D power losses were used for the thermal analysis by ANSYS code. The magnet performance is strongly coupled with the power source. The dynamic magnet inductance and resistance were included in the pulsed power source design. Finally, the paper presented the ORBUMP magnet system design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2005

Computer Simulation of the VASIMR Engine

The goal of this project is to develop a magneto-hydrodynamic (MHD) computer code for simulation of the VASIMR engine. This code is designed be easy to modify and use. We achieve this using the Cactus framework, a system originally developed for research in numerical relativity. Since its release, Cactus has become an extremely powerful and flexible open source framework. The development of the code will be done in stages, starting with a basic fluid dynamic simulation and working towards a more complex MHD code. Once developed, this code can be used by students and researchers in order to further test and improve the VASIMR engine.

Garrison, David↗
DOE OSTI2024

Multiphysics modeling of accelerators through code integration

This work aims to improve the ability of particle accelerator researchers to develop high-performance accelerator cavity designs by creating an overall multiphysics framework that integrates and couples existing application codes. This framework will allow accelerator researchers to build multiphysics models that will optimize cavity design, improve understanding of whole-device performance, and reduce the development and fabrication costs of accelerator research. We utilize the open-source VizSchema data standard as an intermediate data structure interface layer to standardize interfaces between individual application codes. VizScema is extensively documented online, and plugins for VizSchema are available for popular visualization packages, including VisIt and ParaView. Currently, the work focuses on coupling the EM field solver COMSOL and the electron gun code MICHELLE to allow COMSOL field-solve results to be seamlessly used by MICHELLE for particle-solve. Later work will extend this integration to include other fields, particles, and thermodynamics simulation codes.

43 PARTICLE ACCELERATORS↗
NASA NTRS1982

An Automated FORTRAN documenter

A set of programs designed to help R&D programmers document their FORTRAN programs more effectively were written. The central program reads FORTRAN source code and asks the programmer questions about things it has not heard of before. It inserts the answers to these questions as comments into the FORTRAN code. The comments, as well as extensive cross-reference information, are also written to an unformatted file. Other programs read this file to produce printed information or to act as an interactive document.

Erickson, T.↗
DOE OSTI2024

TokaMaker: An open-source time-dependent Grad-Shafranov tool for the design and modeling of axisymmetric fusion devices

Here, in this paper, we present a new static and time-dependent MagnetoHydroDynamic (MHD) equilibrium code, TokaMaker, for axisymmetric configurations of magnetized plasmas, based on the well-known Grad-Shafranov equation. This code utilizes finite element methods on an unstructured triangular grid to enable capturing accurate machine geometry and simple mesh generation from engineering-like descriptions of present and future devices. The new code is designed for ease of use without sacrificing capability and speed through a combination of Python, Fortran, and C/C++ components. A detailed description of the numerical methods of the code, including a novel formulation of the boundary conditions for free-boundary equilibria, and validation of the implementation of those methods using both analytic test cases and cross-code validation is shown. Results show expected convergence across tested polynomial degree for analytic and cross-code test cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Development of a New Fixed-source Sensitivity Tally Capability in the MCNP® code [Abstract]

The development of a new fixed-source sensitivity tally capability is currently underway in the MCNP code. In recent research and development efforts that utilize machine learning to both seek problematic nuclear data as well as design experiments optimized to improve the nuclear data, the adjoint-weighted k-eigenvalue sensitivity tally capabilities have been heavily essential. In this paper, the motivation to expand the sensitivity tally capabilities beyond k-eigenvalues toward diverse fixed-source problems along with preliminary results and verification will be discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

QSpace - An open-source tensor library for Abelian and non-Abelian symmetries

This is the documentation for the tensor library QSpace (v4.0), a toolbox to exploit ‘quan tum symmetry spaces’ in tensor network states in the quantum many-body context. QSpace permits arbitrary combinations of symmetries including the abelian symmetries $\mathbb{Z}_n$ and U(1), as well as all non-abelian symmetries based on the semisimple classical Lie algebras: A n , B n , C n , and D n , or respectively, the special unitary group SU(n), the odd orthogonal group SO(2n+1), the symplectic group Sp(2n), and the even orthogonal group SO(2n). The code (C++ embedded via the MEX interface into Matlab) is available open source as of QSpace v4.0 on bitbucket under the Apache 2.0 license. QSpace is designed as a bottom-up approach for non-abelian symmetries. It starts from the defining representation and the respective Lie algebra. By explicitly comput ing and tabulating generalized Clebsch-Gordan coefficient tensors, QSpace is versatile in the type of operations that it can perform across all symmetries. At the level of an ap plication, much of the symmetry-related details are hidden within the QSpace C++ core libraries. Hence when developing tensor network algorithms with QSpace, these can be coded (nearly) as if there are no symmetries at all, despite being able to fully exploit general non-abelian symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Geant4 based positron beam source (GPos) v1.0

GPos is a software that was created to determine the properties of positron beams resulting from the interaction of the LBNL BELLA center PetaWatt laser-driven plasma-capillary accelerated electron beam and the atoms of a thin solid target. GPos is written in C++, easily compiled with cmake and the spack package manager, which allows for multi-thread and MPI parallel computing. Its functions expand on the Geant4 toolkit library and allow for propagation of the modelled particles through vacuum drift distances with a focusing element (thin lens approximation). Users can change beam-foil-drift-lens parameters - to adapt GPos to other particle sources and infrastructures - in a simple input file. The code particle data output format, openPMD, which is compatible, for example, with the input of the ECP WarpX project code used to explore the physics of particle acceleration in plasmas. Using GPos in conjunction to WarpX allowed us to test various configurations for designing a high-quality and high-energy positron source at BELLA -required for us to address positron acceleration challenges in the development of future linear colliders. GPos can also be advantageous when tackling the physics of muon sources for future muon colliders as well as for the investigation of positron sources in lower energy regimes for applications like annihilation spectroscopy and astrophysical gamma-ray-bursts.

Pinto de Almeida Amorim, Ligia↗